./iterations/neb0_image08_iter66_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.376628659968E+03 0.37663E+03 -0.14284E+04 624 0.799E+02
DAV: 2 0.387033134092E+01 -0.37276E+03 -0.35910E+03 869 0.196E+02
DAV: 3 -0.967907069658E+02 -0.10066E+03 -0.10033E+03 688 0.117E+02
DAV: 4 -0.101134222288E+03 -0.43435E+01 -0.43337E+01 696 0.276E+01
DAV: 5 -0.101218957750E+03 -0.84735E-01 -0.84698E-01 736 0.346E+00 0.228E+01
DAV: 6 -0.925745262322E+02 0.86444E+01 -0.30826E+01 701 0.303E+01 0.119E+01
DAV: 7 -0.917010233680E+02 0.87350E+00 -0.16912E+00 728 0.615E+00 0.481E+00
DAV: 8 -0.913200411359E+02 0.38098E+00 -0.55684E-01 704 0.403E+00 0.163E+00
DAV: 9 -0.912357661409E+02 0.84275E-01 -0.12980E-01 712 0.154E+00 0.426E-01
DAV: 10 -0.912261863477E+02 0.95798E-02 -0.48488E-02 728 0.113E+00 0.312E-01
DAV: 11 -0.912311733822E+02 -0.49870E-02 -0.15389E-02 608 0.642E-01 0.168E-01
DAV: 12 -0.912339557368E+02 -0.27824E-02 -0.32541E-03 630 0.247E-01 0.135E-01
DAV: 13 -0.912379925550E+02 -0.40368E-02 -0.27913E-03 685 0.300E-01 0.539E-02
DAV: 14 -0.912409005430E+02 -0.29080E-02 -0.48845E-04 656 0.118E-01 0.377E-02
DAV: 15 -0.912431119804E+02 -0.22114E-02 -0.19896E-04 637 0.591E-02 0.302E-02
DAV: 16 -0.912441534066E+02 -0.10414E-02 -0.26525E-04 666 0.793E-02 0.191E-02
DAV: 17 -0.912444759145E+02 -0.32251E-03 -0.26928E-05 541 0.340E-02 0.148E-02
DAV: 18 -0.912447305917E+02 -0.25468E-03 -0.59585E-05 631 0.364E-02 0.784E-03
DAV: 19 -0.912447568610E+02 -0.26269E-04 -0.53085E-06 528 0.210E-02 0.387E-03
DAV: 20 -0.912447880318E+02 -0.31171E-04 -0.10583E-05 401 0.193E-02 0.410E-03
DAV: 21 -0.912448126100E+02 -0.24578E-04 -0.31079E-06 440 0.820E-03 0.390E-03
DAV: 22 -0.912448175452E+02 -0.49352E-05 -0.11303E-06 466 0.816E-03
1 F= -.91244818E+02 E0= -.91249820E+02 d E =0.150086E-01